Related papers: Recurrence relations for four-electron integrals o…
We formulate a method to find the meromorphic solutions of higher-order recurrence relations in the form of the sum over poles with coefficients defined recursively. Several explicit examples of the application of this technique are given.…
Gaussian Processes (GPs) are powerful kernelized methods for non-parameteric regression used in many applications. However, their use is limited to a few thousand of training samples due to their cubic time complexity. In order to scale GPs…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
We introduce hybrid gausslet/Gaussian basis sets, where a standard Gaussian basis is added to a gausslet basis in order to increase accuracy near the nuclei while keeping the spacing of the grid of gausslets relatively large. The Gaussians…
Four point correlation functions for many electrons at finite temperature in periodic lattice are analyzed by the perturbation theory with respect to the coupling constant. The correlation functions are characterized as a limit of finite…
Here we revisit the quantum algorithms for obtaining Forrelation [Aaronson et al, 2015] values to evaluate some of the well-known cryptographically significant spectra of Boolean functions, namely the Walsh spectrum, the cross-correlation…
We present analytical formulas for the calculation of the two-center two-electron integrals in the basis of Slater geminals and products of Slater orbitals. Our derivation starts with establishing a inhomogeneous fourth-order ordinary…
We give recurrence relations for any family of generalized Appell polynomials unifying so some known recurrences of many classical sequences of polynomials. Our main tool to get our goal is the Riordan group. We use the product of Riordan…
The need to approximate functions is ubiquitous in science, either due to empirical constraints or high computational cost of accessing the function. In high-energy physics, the precise computation of the scattering cross-section of a…
The approach to the constructing explicit solutions of the recurrence relations for multi-loop integrals are suggested. The resulting formulas demonstrate a high efficiency, at least for 3-loop vacuum integrals case. They also produce a new…
We present a fully grid-based approach for solving Hartree-Fock and all-electron Kohn-Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm…
This work addresses the problem of simulating Gaussian random fields that are continuously indexed over a class of metric graphs, termed graphs with Euclidean edges, being more general and flexible than linear networks. We introduce three…
We derive an off-shell recursion relation for correlators that holds at all loop orders. This allows us to prove how generalized amplitudes transform under generic field redefinitions, starting from an assumed behavior of the…
We propose a recursive algorithm for the calculation of multi-baryon correlation functions that combines the advantages of a recursive approach with those of the recently proposed unified contraction algorithm. The independent components of…
We consider series expansions in bases of classical orthogonal polynomials. When such a series solves a linear differential equation with polynomial coefficients, its coefficients satisfy a linear recurrence equation. We interpret this…
A closed form expression for the three-electron Hylleraas integral involving the inverse quadratic power of one inter-particle coordinate is obtained, and recursion relations are derived for positive powers of other coordinates. This result…
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…
Every classical orthogonal polynomial system $p_n(x)$ satisfies a three-term recurrence relation of the type \[ p_{n+1}(x)=(A_nx+B_n)p_n(x)-C_np_{n-1}(x)~ (n=0,1,2,\ldots, p_{-1}\equiv 0), \] with $C_nA_nA_{n-1}>0$. Moreover, Favard's…
We study two classes of radial integrals involving a product of bound and continuum one-electron states. Using a representation of the continuum part with an expansion on complex Gaussian Type Orbitals, such integrals can be performed…
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equations of independent particles that move in an effective…